From: Egon W. <eg...@us...> - 2004-12-06 15:12:37
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/config/data In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv4980/src/org/openscience/cdk/config/data Modified Files: hybridization_atomtypes.xml Log Message: Fixed definition of N.sp2 which has 2 (not 3) formal neighbours (closes #??????? and #????????) Index: hybridization_atomtypes.xml =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/config/data/hybridization_atomtypes.xml,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- hybridization_atomtypes.xml 20 Jun 2004 15:31:54 -0000 1.3 +++ hybridization_atomtypes.xml 6 Dec 2004 15:12:25 -0000 1.4 @@ -96,7 +96,7 @@ <atom elementType="N" formalCharge="0"> <scalar dataType="xsd:double" dictRef="cdk:maxBondOrder">2.0</scalar> <scalar dataType="xsd:double" dictRef="cdk:bondOrderSum">3.0</scalar> - <scalar dataType="xsd:integer" dictRef="cdk:formalNeighbourCount">3</scalar> + <scalar dataType="xsd:integer" dictRef="cdk:formalNeighbourCount">2</scalar> </atom> <scalar dataType="xsd:string" dictRef="cdk:hybridization">sp2</scalar> </atomType> |